RefChem:350581
2-(dimethylamino)ethyl (2S)-2-(N-benzoyl-4-ethoxyanilino)propanoate;2-hydroxybenzoic acid
Also Known As: N-Benzoyl-N-(p-ethoxyphenyl)alanine 2-(dimethylamino)ethyl ester salicylate|L-Alanine, N-benzoyl-N-(4-ethoxyphenyl)-, 2-(dimethylamino)ethyl ester, mono(2-hydroxybenzoate)|2-dimethylaminoethyl (2S)-2-(N-benzoyl-4-ethoxyanilino)propanoate; 2-hydroxybenzoic acid|2-Hydroxybenzoic acid--2-(dimethylamino)ethyl N-benzoyl-N-(4-ethoxyphenyl)-L-alaninate (1/1)
| Molecular Formula | C29H34N2O7 |
|---|---|
| Molecular Weight | 522.2366 g/mol |
| LogP | 4.3158 |
| Topological Polar Surface Area | 116.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 522.2366 |
| Monoisotopic Mass | 522.2366 |
| Heavy Atoms | 38 |
| Complexity | 1181.0458 |
Chemical Identifiers
| CAS Number | 79565-82-5 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N([C@@H](C)C(=O)OCCN(C)C)C(=O)C2=CC=CC=C2.C1=CC=C(C(=C1)C(=O)O)O |
Product Overview
RefChem:350581 (CAS 79565-82-5), with molecular formula C29H34N2O7 and molecular weight 522.2366 g/mol. IUPAC: 2-(dimethylamino)ethyl (2S)-2-(N-benzoyl-4-ethoxyanilino)propanoate;2-hydroxybenzoic acid.
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